Execution Time5.81s

Test: CLUSTER_WHAM_remd_dfa (Passed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR (dell15) on 2020-05-04 03:46:44
Repository revision: 2bc0c5f06a45a86998d13adb237a1c84e46e12e8


Show Command Line
Show Test Time Graph
Show Failing/Passing Graph

Test output
CTEST_FULL_OUTPUT
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 read_dfa_info finished!
 T  -160474880           1
 T  -160474880           4
 T  -160474880           6
 T  -160474880          19
 T  -160474880          23
 T  -160474880          24
 T  -160474880          29
 T  -160474880          33
 T  -160474880          34
 T  -160474880          37
 T  -160474880          38
 T  -160474880          39
 T  -160474880          44
 T  -160474880          55
 T  -160474880          74
 T  -160474880          77
 T  -160474880          84
 T  -160474880          85
 T  -160474880          86
 T  -160474880          87
 T  -160474880          90
 T  -160474880          98
 T  -160474880         102
 T  -160474880         104
 T  -160474880         109
 T  -160474880         115
 T  -160474880         126
 T  -160474880         127
 T  -160474880         131
 T  -160474880         132
 T  -160474880         136
 T  -160474880         140
 T  -160474880         149
 T  -160474880         158
 T  -160474880         160
 T  -160474880         168
 T  -160474880         172
 T  -160474880         175
 T  -160474880         177
 T  -160474880         180
 T  -160474880         182
 T  -160474880         185
 T  -160474880         195
 T  -160474880         197
 T  -160474880         198
 T  -160474880         200
 T  -160474880         204
 T  -160474880         209
 T  -160474880         210
 T  -160474880         213
 T  -160474880         214
 T  -160474880         216
 T  -160474880         217
 T  -160474880         221
 T  -160474880         224
 T  -160474880         234
 T  -160474880         235
 T  -160474880         239
 T  -160474880         251
 T  -160474880         253
 T  -160474880         255
 T  -160474880           2
 T  -160474880           3
 T  -160474880          11
 T  -160474880          13
 T  -160474880          15
 T  -160474880          16
 T  -160474880          17
 T  -160474880          25
 T  -160474880          30
 T  -160474880          42
 T  -160474880          62
 T  -160474880          63
 T  -160474880          65
 T  -160474880          73
 T  -160474880          75
 T  -160474880          80
 T  -160474880          93
 T  -160474880          96
 T  -160474880         119
 T  -160474880         120
 T  -160474880         123
 T  -160474880         128
 T  -160474880         129
 T  -160474880         130
 T  -160474880         133
 T  -160474880         135
 T  -160474880         137
 T  -160474880         138
 T  -160474880         143
 T  -160474880         151
 T  -160474880         154
 T  -160474880         155
 T  -160474880         156
 T  -160474880         157
 T  -160474880         159
 T  -160474880         162
 T  -160474880         163
 T  -160474880         164
 T  -160474880         167
 T  -160474880         169
 T  -160474880         181
 T  -160474880         183
 T  -160474880         184
 T  -160474880         188
 T  -160474880         190
 T  -160474880         191
 T  -160474880         196
 T  -160474880         199
 T  -160474880         201
 T  -160474880         202
 T  -160474880         205
 T  -160474880         207
 T  -160474880         211
 T  -160474880         215
 T  -160474880         220
 T  -160474880         222
 T  -160474880         223
 T  -160474880         225
 T  -160474880         230
 T  -160474880         236
 T  -160474880         238
 T  -160474880         240
 T  -160474880         241
 T  -160474880         242
 T  -160474880         246
 T  -160474880         249
 T  -160474880         256
 T  -160474880         258
 T  -160474880           7
 T  -160474880           8
 T  -160474880           9
 T  -160474880          18
 T  -160474880          20
 T  -160474880          22
 T  -160474880          27
 T  -160474880          41
 T  -160474880          45
 T  -160474880          49
 T  -160474880          50
 T  -160474880          52
 T  -160474880          57
 T  -160474880          58
 T  -160474880          59
 T  -160474880          60
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T  -160474880          67
 T  -160474880          69
 T  -160474880          91
 T  -160474880          94
 T  -160474880          95
 T  -160474880         101
 T  -160474880         103
 T  -160474880         107
 T  -160474880         110
 T  -160474880         113
 T  -160474880         114
 T  -160474880         118
 T  -160474880         122
 T  -160474880         142
 T  -160474880         147
 T  -160474880         150
 T  -160474880         152
 T  -160474880         153
 T  -160474880         161
 T  -160474880         166
 T  -160474880         171
 T  -160474880         173
 T  -160474880         174
 T  -160474880         194
 T  -160474880         212
 T  -160474880         218
 T  -160474880         227
 T  -160474880         228
 T  -160474880         233
 T  -160474880         252
 T  -160474880           5
 T  -160474880          12
 T  -160474880          28
 T  -160474880          35
 T  -160474880          36
 T  -160474880          47
 T  -160474880          51
 T  -160474880          56
 T  -160474880          61
 T  -160474880          64
 T  -160474880          66
 T  -160474880          68
 T  -160474880          72
 T  -160474880          76
 T  -160474880          78
 T  -160474880          79
 T  -160474880          81
 T  -160474880          83
 T  -160474880          89
 T  -160474880          92
 T  -160474880          97
 T  -160474880          99
 T  -160474880         105
 T  -160474880         106
 T  -160474880         108
 T  -160474880         111
 T  -160474880         112
 T  -160474880         116
 T  -160474880         117
 T  -160474880         121
 T  -160474880         124
 T  -160474880         125
 T  -160474880         134
 T  -160474880         144
 T  -160474880         145
 T  -160474880         146
 T  -160474880         170
 T  -160474880         176
 T  -160474880         178
 T  -160474880         179
 T  -160474880         186
 T  -160474880         187
 T  -160474880         189
 T  -160474880         192
 T  -160474880         203
 T  -160474880         206
 T  -160474880         229
 T  -160474880         232
 T  -160474880         237
 T  -160474880         243
 T  -160474880         244
 T  -160474880         245
 T  -160474880         248
 T  -160474880         257
 T  -160474880          10
 T  -160474880          14
 T  -160474880          21
 T  -160474880          26
 T  -160474880          31
 T  -160474880          32
 T  -160474880          40
 T  -160474880          43
 T  -160474880          46
 T  -160474880          48
 T  -160474880          53
 T  -160474880          54
 T  -160474880          70
 T  -160474880          71
 T  -160474880          82
 T  -160474880          88
 T  -160474880         100
 T  -160474880         139
 T  -160474880         141
 T  -160474880         148
 T  -160474880         165
 T  -160474880         193
 T  -160474880         208
 T  -160474880         219
 T  -160474880         226
 T  -160474880         231
 T  -160474880         247
 T  -160474880         250
 T  -160474880         254
THERE ARE    5 FAMILIES OF CONFORMATIONS
dfa_wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY  -5.27237E+02 AVE RMSD 0.00
dfa_wham_T280K_0001.pdb:REMARK clustering           ENERGY    -5.25449E+02 RMS    0.00
dfa_wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -5.27201E+02 AVE RMSD 0.00
dfa_wham_T280K_0002.pdb:REMARK clustering           ENERGY    -5.25448E+02 RMS    0.00
dfa_wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -5.27199E+02 AVE RMSD 0.00
dfa_wham_T280K_0003.pdb:REMARK clustering           ENERGY    -5.25446E+02 RMS    0.00
dfa_wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -5.27195E+02 AVE RMSD 0.00
dfa_wham_T280K_0004.pdb:REMARK clustering           ENERGY    -5.25447E+02 RMS    0.00
dfa_wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -5.26973E+02 AVE RMSD 0.00
dfa_wham_T280K_0005.pdb:REMARK clustering           ENERGY    -5.25446E+02 RMS    0.00